SIMILAR PATTERNS OF AMINO ACIDS FOR 1CD2_A_FOLA307

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aoh CELLULOSOMAL-SCAFFOL
DING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 ILE A  54
ALA A  72
PHE A  82
PHE A 121
ILE A 104
 None
 1.10A 1cd2A-1aohA:
undetectable		 1cd2A-1aohA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  31
THR A  47
LEU A  55
ILE A 100
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.53A 1cd2A-1cz3A:
16.7		 1cd2A-1cz3A:
28.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
LEU A  22
PHE A  34
THR A  56
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.5A)
 0.51A 1cd2A-1dr6A:
25.4		 1cd2A-1dr6A:
39.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
PRO A  61
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.60A 1cd2A-1dr6A:
25.4		 1cd2A-1dr6A:
39.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyu ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PRO A 755
PHE A 758
LEU A 760
 None
 0.97A 1cd2A-1gyuA:
undetectable		 1cd2A-1gyuA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyv ADAPTER-RELATED
PROTEIN COMPLEX 1
GAMMA 1 SUBUNIT

(Mus musculus) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PRO A 755
PHE A 758
LEU A 760
 None
 1.06A 1cd2A-1gyvA:
undetectable		 1cd2A-1gyvA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iu1 GAMMA1-ADAPTIN

(Homo sapiens) 		PF02883
(Alpha_adaptinC2) 		5 ILE A 735
ALA A 709
PRO A 755
PHE A 758
LEU A 760
 None
 1.05A 1cd2A-1iu1A:
undetectable		 1cd2A-1iu1A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  28
PHE A  40
LYS A  41
THR A  55
LEU A  63
ILE A 127
 None
None
None
NDP  A 194 (-3.3A)
None
None
 1.22A 1cd2A-1juvA:
14.8		 1cd2A-1juvA:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  28
PHE A  40
THR A  55
PRO A  60
LEU A  63
ILE A 127
 None
None
NDP  A 194 (-3.3A)
None
None
None
 1.06A 1cd2A-1juvA:
14.8		 1cd2A-1juvA:
26.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ILE X 291
ALA X 293
PHE X 331
LEU X 211
ILE X 287
 None
 1.04A 1cd2A-1r6bX:
undetectable		 1cd2A-1r6bX:
14.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
PRO A  61
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.43A 1cd2A-1u70A:
25.2		 1cd2A-1u70A:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
PRO A  61
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-4.4A)
None
None
MXA  A 187 (-4.3A)
 0.37A 1cd2A-1u71A:
25.4		 1cd2A-1u71A:
36.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		5 ALA A 135
LEU A 417
PRO A 166
LEU A 125
TYR A 141
 None
 1.06A 1cd2A-1yf2A:
undetectable		 1cd2A-1yf2A:
17.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LYS A  32
THR A  46
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
None
 0.64A 1cd2A-1zdrA:
19.4		 1cd2A-1zdrA:
34.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
LEU A  45
PRO A 122
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
None
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.81A 1cd2A-2blbA:
21.1		 1cd2A-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
LEU A  45
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.57A 1cd2A-2blbA:
21.1		 1cd2A-2blbA:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ccl CELLULOSOMAL
SCAFFOLDING PROTEIN
A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 ILE A  54
ALA A  72
PHE A  82
PHE A 118
ILE A 104
 None
 1.03A 1cd2A-2cclA:
undetectable		 1cd2A-2cclA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ew1 RAS-RELATED PROTEIN
RAB-30

(Homo sapiens) 		PF00071
(Ras) 		5 ILE A  11
ALA A 166
PHE A 162
LEU A  24
ILE A  85
 None
 1.04A 1cd2A-2ew1A:
undetectable		 1cd2A-2ew1A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 ILE A 261
PRO A 212
LEU A  55
ILE A 334
THR A 245
 None
 1.01A 1cd2A-2fvgA:
undetectable		 1cd2A-2fvgA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  28
PHE A  52
THR A  80
PRO A  85
PHE A  88
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
None
 0.62A 1cd2A-2h2qA:
21.6		 1cd2A-2h2qA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jy9 PUTATIVE TRNA
HYDROLASE DOMAIN

(Salmonella
enterica) 		PF00472
(RF-1) 		5 ILE A   2
PHE A  41
THR A  99
LEU A  48
ILE A   4
 None
 1.07A 1cd2A-2jy9A:
undetectable		 1cd2A-2jy9A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
PHE A  36
THR A  58
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.65A 1cd2A-2oipA:
21.7		 1cd2A-2oipA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oy4 NEUTROPHIL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 138
ALA A 163
PHE A 199
PHE A 192
ILE A 140
 None
 1.10A 1cd2A-2oy4A:
undetectable		 1cd2A-2oy4A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		6 ILE A 545
ALA A 593
PHE A 580
LEU A 603
ILE A 544
THR A 592
 PCG  A 401 ( 4.0A)
PCG  A 401 (-3.8A)
None
None
None
PCG  A 401 (-2.9A)
 1.22A 1cd2A-2q0aA:
undetectable		 1cd2A-2q0aA:
18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
LYS A  33
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.61A 1cd2A-2qk8A:
20.7		 1cd2A-2qk8A:
30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
PHE A  35
THR A  50
PRO A  55
LEU A  61
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.25A 1cd2A-2w3wA:
20.9		 1cd2A-2w3wA:
32.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 PHE A  35
LYS A  36
THR A  50
PRO A  55
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.92A 1cd2A-2w3wA:
20.9		 1cd2A-2w3wA:
32.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  20
THR A  46
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.61A 1cd2A-2w9sA:
19.7		 1cd2A-2w9sA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
None
TOP  A1160 ( 4.5A)
 0.68A 1cd2A-2w9sA:
19.7		 1cd2A-2w9sA:
34.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 PHE B  23
THR B 229
PHE B 145
LEU B 209
ILE B 200
 None
 1.09A 1cd2A-2xdqB:
undetectable		 1cd2A-2xdqB:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		5 ILE A 137
ALA A 188
LEU A 186
LEU A 109
ILE A 135
 None
 0.93A 1cd2A-3bywA:
undetectable		 1cd2A-3bywA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE

(Staphylococcus
aureus) 		PF13738
(Pyr_redox_3) 		5 ILE A 157
ALA A 180
PHE A 163
PRO A 260
ILE A 152
 SO4  A 370 (-4.7A)
None
SO4  A 370 ( 4.3A)
None
None
 1.04A 1cd2A-3d1cA:
undetectable		 1cd2A-3d1cA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
PHE A  30
THR A  45
PRO A  50
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.79A 1cd2A-3dfrA:
20.5		 1cd2A-3dfrA:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		9 ILE A  14
ALA A  16
LEU A  46
PHE A  58
PRO A 113
PHE A 116
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
None
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.67A 1cd2A-3dg8A:
21.4		 1cd2A-3dg8A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 221
LEU A 198
PHE A 245
ILE A 216
THR A 488
 None
DAL  A 701 ( 4.1A)
None
None
None
 1.07A 1cd2A-3dhvA:
undetectable		 1cd2A-3dhvA:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ele AMINO TRANSFERASE

([Eubacterium]
rectale) 		PF00155
(Aminotran_1_2) 		6 ILE A 176
LEU A 200
THR A 239
PRO A 210
LEU A 118
ILE A 214
 None
 1.43A 1cd2A-3eleA:
undetectable		 1cd2A-3eleA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  20
LYS X  32
THR X  46
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
NDP  X 207 (-3.2A)
None
None
N22  X 219 (-4.4A)
 0.71A 1cd2A-3i8aX:
19.5		 1cd2A-3i8aX:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  55
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.46A 1cd2A-3ia4A:
20.2		 1cd2A-3ia4A:
30.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		8 ILE A   8
ALA A  10
LEU A  23
PHE A  34
LYS A  35
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.87A 1cd2A-3ix9A:
20.4		 1cd2A-3ix9A:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jd5 28S RIBOSOMAL
PROTEIN S2,
MITOCHONDRIAL

(Bos taurus) 		PF00318
(Ribosomal_S2) 		5 ILE B 131
ALA B 122
LEU B 118
LEU B 185
ILE B 183
 None
 1.04A 1cd2A-3jd5B:
undetectable		 1cd2A-3jd5B:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
THR A  69
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
 0.40A 1cd2A-3kjrA:
22.7		 1cd2A-3kjrA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nrh UNCHARACTERIZED
PROTEIN BF1032

(Bacteroides
fragilis) 		PF16702
(DUF5063) 		5 ILE A 123
LEU A  79
PHE A  23
LEU A  46
ILE A 119
 None
 1.10A 1cd2A-3nrhA:
undetectable		 1cd2A-3nrhA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		6 ILE A 146
ALA A 194
PHE A 181
LEU A 204
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
None
CMP  A 250 (-2.9A)
 1.20A 1cd2A-3ogjA:
undetectable		 1cd2A-3ogjA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 ALA A  34
PHE A  58
THR A  86
PRO A  91
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.47A 1cd2A-3rg9A:
22.4		 1cd2A-3rg9A:
29.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		6 ILE A 130
ALA A 178
PHE A 165
LEU A 188
ILE A 129
THR A 177
 CMP  A 401 (-4.1A)
CMP  A 401 (-3.8A)
None
None
None
CMP  A 401 (-2.8A)
 1.33A 1cd2A-3shrA:
undetectable		 1cd2A-3shrA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 248
ALA A 302
PHE A 289
ILE A 247
THR A 301
 None
 0.66A 1cd2A-3shrA:
undetectable		 1cd2A-3shrA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
LEU A  21
PHE A  32
LYS A  33
THR A  47
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.57A 1cd2A-3tq9A:
20.2		 1cd2A-3tq9A:
32.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ug7 ARSENICAL
PUMP-DRIVING ATPASE

(Methanocaldococcus
jannaschii) 		PF02374
(ArsA_ATPase) 		5 ILE A 156
ALA A  45
LEU A 332
THR A  16
ILE A  29
 None
 1.06A 1cd2A-3ug7A:
undetectable		 1cd2A-3ug7A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ILE A  14
LEU A  46
PHE A  58
THR A 108
PHE A 116
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.65A 1cd2A-3um6A:
21.3		 1cd2A-3um6A:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 THR A 108
PRO A 113
PHE A 116
LEU A 119
ILE A 164
TYR A 170
THR A 185
 NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.62A 1cd2A-3um6A:
21.3		 1cd2A-3um6A:
16.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ALA A   8
PHE A  32
LYS A  33
THR A  53
PRO A  58
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.93A 1cd2A-3vcoA:
22.2		 1cd2A-3vcoA:
34.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ALA A   8
PHE A  32
LYS A  33
THR A  53
PRO A  58
PHE A  61
LEU A  64
ILE A 111
TYR A 117
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 1.05A 1cd2A-3vcoA:
22.2		 1cd2A-3vcoA:
34.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zth STU0660

(Streptococcus
thermophilus) 		PF16813
(Cas_St_Csn2) 		5 ILE A  80
LEU A 225
PHE A 184
LEU A  97
ILE A  78
 None
 1.09A 1cd2A-3zthA:
undetectable		 1cd2A-3zthA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c8q DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		5 ILE H 555
LEU H 549
PHE H 556
LEU H 637
ILE H 595
 None
 1.09A 1cd2A-4c8qH:
undetectable		 1cd2A-4c8qH:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		6 ILE A 329
ALA A 379
PHE A 366
LEU A 389
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
None
PCG  A1423 (-3.0A)
 1.15A 1cd2A-4d7sA:
undetectable		 1cd2A-4d7sA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  51
LEU A  10
PHE A 117
ILE A 104
THR A 108
 None
 0.82A 1cd2A-4f2gA:
undetectable		 1cd2A-4f2gA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fkm SIMILAR TO FERRIC
HYDROXAMATE RECEPTOR
1

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 ALA A 264
THR A 256
PRO A 251
LEU A 190
ILE A 233
 MLY  A 263 ( 3.6A)
None
None
MLY  A 189 ( 4.5A)
MLY  A 229 ( 4.7A)
 1.04A 1cd2A-4fkmA:
undetectable		 1cd2A-4fkmA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 ILE A 163
ALA A 188
PHE A 224
PHE A 217
ILE A 165
 None
 1.09A 1cd2A-4fvlA:
undetectable		 1cd2A-4fvlA:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		10 ILE X  10
ALA X  12
LEU X  25
PHE X  36
THR X  61
PRO X  66
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 (-4.8A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.63A 1cd2A-4g8zX:
34.5		 1cd2A-4g8zX:
95.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
LYS A  37
THR A  58
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.60A 1cd2A-4h96A:
24.0		 1cd2A-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
LYS A  37
THR A  58
PRO A  63
LEU A  69
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
None
None
14Q  A 202 ( 4.2A)
None
 0.78A 1cd2A-4h96A:
24.0		 1cd2A-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 THR A  58
PRO A  63
PHE A  66
LEU A  69
ILE A 112
 NDP  A 201 (-3.7A)
None
None
None
14Q  A 202 ( 4.2A)
 0.82A 1cd2A-4h96A:
24.0		 1cd2A-4h96A:
38.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
LEU A  25
PHE A  36
THR A  58
PRO A  63
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.4A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.56A 1cd2A-4h98A:
22.5		 1cd2A-4h98A:
35.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		10 ILE A   9
ALA A  11
PHE A  36
THR A  58
PRO A  63
PHE A  66
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.4A)
14Q  A 302 (-3.7A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.61A 1cd2A-4h98A:
22.5		 1cd2A-4h98A:
35.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		5 ILE A  31
LEU A 207
PHE A  28
LEU A  36
ILE A 222
 None
 0.95A 1cd2A-4ijmA:
undetectable		 1cd2A-4ijmA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ja0 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bombyx mori) 		PF00731
(AIRC)
PF01259
(SAICAR_synt) 		5 ILE A 178
ALA A 182
LYS A  72
PHE A  80
ILE A 175
 None
 0.96A 1cd2A-4ja0A:
2.7		 1cd2A-4ja0A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jer HEMOPHORE HASA

(Yersinia pestis) 		PF06438
(HasA) 		5 ILE A   5
PHE A 116
LEU A  20
ILE A 114
TYR A 178
 None
 0.96A 1cd2A-4jerA:
undetectable		 1cd2A-4jerA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
PHE A  31
THR A  46
PRO A  51
LEU A  57
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.40A 1cd2A-4m2xA:
19.5		 1cd2A-4m2xA:
29.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
PHE A  31
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 1.30A 1cd2A-4m7vA:
18.9		 1cd2A-4m7vA:
29.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.77A 1cd2A-4m7vA:
18.9		 1cd2A-4m7vA:
29.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.60A 1cd2A-4m7vA:
18.9		 1cd2A-4m7vA:
29.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mmo SSO-CP2
METALLO-CARBOXYPETID
ASE

(Sulfolobus
solfataricus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 378
PHE A 261
LEU A 264
ILE A 272
TYR A 248
 None
 1.05A 1cd2A-4mmoA:
undetectable		 1cd2A-4mmoA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o0m CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		5 ILE A  32
LEU A 208
PHE A  29
LEU A  37
ILE A 223
 None
 0.88A 1cd2A-4o0mA:
2.2		 1cd2A-4o0mA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ofg CGMP-DEPENDENT
PROTEIN KINASE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 ILE A 446
ALA A 494
PHE A 481
ILE A 445
THR A 493
 PCG  A 601 ( 4.4A)
PCG  A 601 (-3.9A)
None
None
PCG  A 601 (-2.7A)
 0.89A 1cd2A-4ofgA:
undetectable		 1cd2A-4ofgA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 ILE A  42
ALA A  68
PRO A  47
PHE A  79
ILE A 238
 None
 0.87A 1cd2A-4p2bA:
undetectable		 1cd2A-4p2bA:
16.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  31
LYS A  32
THR A  46
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.27A 1cd2A-4p68A:
20.1		 1cd2A-4p68A:
30.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 0.86A 1cd2A-4qx5A:
undetectable		 1cd2A-4qx5A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uss GLUTATHIONYL
HYDROQUINONE
REDUCTASE

(Populus
trichocarpa) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		5 ALA A 160
PHE A 152
PHE A  25
LEU A 132
ILE A  68
 None
 1.06A 1cd2A-4ussA:
undetectable		 1cd2A-4ussA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 166
ALA A 191
PHE A 228
PHE A 221
ILE A 168
 None
 1.08A 1cd2A-4xctA:
undetectable		 1cd2A-4xctA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		6 ILE A 146
ALA A 194
PHE A 181
LEU A 204
ILE A 145
THR A 193
 PCG  A 401 ( 4.1A)
PCG  A 401 (-3.8A)
None
None
None
PCG  A 401 (-2.8A)
 1.32A 1cd2A-4z07A:
undetectable		 1cd2A-4z07A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
 0.94A 1cd2A-4z07A:
undetectable		 1cd2A-4z07A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		5 LEU A 349
PHE A 428
PHE A 377
LEU A 462
ILE A 426
 None
 1.03A 1cd2A-5bzaA:
undetectable		 1cd2A-5bzaA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c8w CGMP-DEPENDENT
PROTEIN KINASE 2

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 196
ALA A 244
PHE A 231
ILE A 195
THR A 243
 PCG  A 302 ( 4.1A)
PCG  A 302 (-3.8A)
None
None
PCG  A 302 ( 2.8A)
 1.03A 1cd2A-5c8wA:
undetectable		 1cd2A-5c8wA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dn7 PROTEIN FAM179B

(Mus musculus) 		no annotation 5 ILE A 350
PHE A 394
THR A 386
LEU A 420
ILE A 349
 None
 1.10A 1cd2A-5dn7A:
undetectable		 1cd2A-5dn7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.40A 1cd2A-5dxvA:
12.2		 1cd2A-5dxvA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.87A 1cd2A-5ecxA:
19.5		 1cd2A-5ecxA:
27.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
THR A  47
LEU A  55
TYR A 101
THR A 114
 None
 0.52A 1cd2A-5fdaA:
14.0		 1cd2A-5fdaA:
31.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hpz WATER-SOLUBLE
CHLOROPHYLL PROTEIN

(Brassicaceae) 		PF00197
(Kunitz_legume) 		5 ILE A 113
PHE A  82
PRO A  54
PHE A  19
ILE A  45
 None
 0.92A 1cd2A-5hpzA:
undetectable		 1cd2A-5hpzA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE A 595
PHE A 592
THR A 541
LEU A 645
ILE A 672
 None
 1.05A 1cd2A-5iy9A:
undetectable		 1cd2A-5iy9A:
7.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j48 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 6FW  A 404 (-3.5A)
6FW  A 404 (-3.2A)
None
None
6FW  A 404 ( 2.8A)
 0.90A 1cd2A-5j48A:
undetectable		 1cd2A-5j48A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jkn PROTEIN FAM63A

(Homo sapiens) 		PF04424
(MINDY_DUB) 		5 ILE A 234
ALA A 141
LEU A 139
LEU A 174
THR A 322
 None
 1.10A 1cd2A-5jknA:
undetectable		 1cd2A-5jknA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 5 ILE A 217
THR A 165
LEU A 220
ILE A 218
THR A  58
 None
 1.10A 1cd2A-5no8A:
undetectable		 1cd2A-5no8A:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  10
LEU A  23
PHE A  35
THR A  83
PRO A  88
PHE A  91
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
73X  A 704 ( 4.2A)
None
None
73X  A 704 (-4.2A)
 0.60A 1cd2A-5t0lA:
23.4		 1cd2A-5t0lA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A 135
LEU A 138
THR A  13
LEU A  10
THR A 164
 None
NAD  A 300 (-3.8A)
None
None
None
 1.06A 1cd2A-5t5qA:
undetectable		 1cd2A-5t5qA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uvr PILO PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 148
LEU A 167
THR A 197
PRO A 110
ILE A 146
 None
None
MLY  A 196 ( 3.7A)
None
None
 1.06A 1cd2A-5uvrA:
undetectable		 1cd2A-5uvrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 6 ILE A  46
LEU A   9
PHE A 150
PRO A  75
LEU A  80
ILE A 104
 None
 1.37A 1cd2A-5vncA:
undetectable		 1cd2A-5vncA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zh5 LYSINE--TRNA LIGASE

(Plasmodium
falciparum) 		no annotation 5 ILE A 161
LEU A 122
PHE A 115
LEU A 133
ILE A 206
 None
 1.04A 1cd2A-5zh5A:
undetectable		 1cd2A-5zh5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cjq -

(-) 		no annotation 5 ILE A 329
ALA A 379
PHE A 366
ILE A 328
THR A 378
 None
 1.01A 1cd2A-6cjqA:
undetectable		 1cd2A-6cjqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 10 ILE A   6
ALA A   8
PHE A  32
LYS A  33
THR A  47
PRO A  52
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.41A 1cd2A-6cxmA:
19.1		 1cd2A-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  20
THR A  46
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 0.69A 1cd2A-6e4eA:
19.5		 1cd2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fbt FRUCTOSE-2,6-BISPHOS
PHATASE

(Rattus
norvegicus) 		PF00300
(His_Phos_1) 		3 GLU A  84
ILE A  19
ARG A   7
 None
None
PO4  A 300 (-3.9A)
 0.82A 1cd2A-1fbtA:
undetectable		 1cd2A-1fbtA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g82 FIBROBLAST GROWTH
FACTOR 9

(Homo sapiens) 		PF00167
(FGF) 		3 GLU A 199
ILE A  60
ARG A  64
 None
 0.85A 1cd2A-1g82A:
undetectable		 1cd2A-1g82A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8p MAGNESIUM-CHELATASE
38 KDA SUBUNIT

(Rhodobacter
capsulatus) 		PF01078
(Mg_chelatase) 		3 GLU A  73
ILE A  72
ARG A 260
 None
 0.81A 1cd2A-1g8pA:
0.4		 1cd2A-1g8pA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8p MAGNESIUM-CHELATASE
38 KDA SUBUNIT

(Rhodobacter
capsulatus) 		PF01078
(Mg_chelatase) 		3 GLU A 157
ILE A 160
ARG A 177
 None
 0.66A 1cd2A-1g8pA:
0.4		 1cd2A-1g8pA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i5p PESTICIDIAL CRYSTAL
PROTEIN CRY2AA

(Bacillus
thuringiensis) 		PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
PF09131
(Endotoxin_mid) 		3 GLU A 254
ILE A 258
ARG A 548
 None
 0.67A 1cd2A-1i5pA:
undetectable		 1cd2A-1i5pA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		3 GLU A1123
ILE A1126
ARG A1094
 None
None
B12  A1248 ( 4.9A)
 0.82A 1cd2A-1k7yA:
0.0		 1cd2A-1k7yA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lvf SYNTAXIN 6

(Rattus
norvegicus) 		PF09177
(Syntaxin-6_N) 		3 GLU A  72
ILE A  68
ARG A  96
 None
 0.81A 1cd2A-1lvfA:
undetectable		 1cd2A-1lvfA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m3s HYPOTHETICAL PROTEIN
YCKF

(Bacillus
subtilis) 		PF01380
(SIS) 		3 GLU A  13
ILE A  10
ARG A  46
 None
 0.57A 1cd2A-1m3sA:
undetectable		 1cd2A-1m3sA:
24.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nmy SIMILAR TO
THYMIDYLATE KINASE
(DTMP KINASE)

(Homo sapiens) 		PF02223
(Thymidylate_kin) 		3 GLU A 185
ILE A 184
ARG A  24
 None
ANP  A 303 ( 4.6A)
ADP  A 302 ( 4.9A)
 0.79A 1cd2A-1nmyA:
0.7		 1cd2A-1nmyA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pmr DIHYDROLIPOYL
SUCCINYLTRANSFERASE

(Escherichia
coli) 		PF00364
(Biotin_lipoyl) 		3 GLU A  61
ILE A  72
ARG A  70
 None
 0.82A 1cd2A-1pmrA:
undetectable		 1cd2A-1pmrA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		3 GLU A 482
ILE A 483
ARG A 491
 None
 0.84A 1cd2A-1ru3A:
0.1		 1cd2A-1ru3A:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w99 PESTICIDIAL CRYSTAL
PROTEIN CRY4BA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		3 GLU A 629
ILE A 480
ARG A 190
 None
 0.76A 1cd2A-1w99A:
undetectable		 1cd2A-1w99A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 GLU A 113
ILE A 110
ARG A 151
 None
 0.78A 1cd2A-2d4wA:
undetectable		 1cd2A-2d4wA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dgo CYTOTOXIC
GRANULE-ASSOCIATED
RNA BINDING PROTEIN
1

(Mus musculus) 		PF00076
(RRM_1) 		3 GLU A 133
ILE A 136
ARG A 156
 None
 0.79A 1cd2A-2dgoA:
undetectable		 1cd2A-2dgoA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fsr ACETYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13302
(Acetyltransf_3) 		3 GLU A  75
ILE A  77
ARG A  34
 None
 0.64A 1cd2A-2fsrA:
undetectable		 1cd2A-2fsrA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 GLU A 108
ILE A 130
ARG A 255
 None
 0.75A 1cd2A-2gskA:
undetectable		 1cd2A-2gskA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ije GUANINE
NUCLEOTIDE-RELEASING
PROTEIN

(Mus musculus) 		PF00617
(RasGEF) 		3 GLU S1216
ILE S1213
ARG S1160
 None
 0.59A 1cd2A-2ijeS:
undetectable		 1cd2A-2ijeS:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		3 GLU A 104
ILE A 227
ARG A 233
 FE  A 501 (-2.6A)
None
None
 0.70A 1cd2A-2incA:
undetectable		 1cd2A-2incA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j28 50S RIBOSOMAL
PROTEIN L2

(Escherichia
coli) 		PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C) 		3 GLU C  81
ILE C  90
ARG C  62
 None
None
G  B1817 ( 2.6A)
 0.61A 1cd2A-2j28C:
undetectable		 1cd2A-2j28C:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		3 GLU A  69
ILE A  68
ARG A  86
 None
SO4  A1437 (-3.7A)
SO4  A1437 (-2.8A)
 0.82A 1cd2A-2j3zA:
undetectable		 1cd2A-2j3zA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8x URACIL-DNA
GLYCOSYLASE

(Human
gammaherpesvirus
4) 		PF03167
(UDG) 		3 GLU A  68
ILE A  52
ARG A  57
 None
 0.70A 1cd2A-2j8xA:
undetectable		 1cd2A-2j8xA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kdi UBIQUITIN, VACUOLAR
PROTEIN
SORTING-ASSOCIATED
PROTEIN 27 FUSION
PROTEIN

(Saccharomyces
cerevisiae) 		PF00240
(ubiquitin)
PF02809
(UIM) 		3 GLU A  43
ILE A  39
ARG A  81
 None
 0.84A 1cd2A-2kdiA:
undetectable		 1cd2A-2kdiA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1v ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 GLU A 224
ILE A 210
ARG A 237
 None
 0.81A 1cd2A-2o1vA:
undetectable		 1cd2A-2o1vA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5n MUHV1GPM153

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		3 GLU A  21
ILE A  23
ARG A 113
 None
 0.79A 1cd2A-2o5nA:
undetectable		 1cd2A-2o5nA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5t PEZT

(Streptococcus
pneumoniae) 		PF06414
(Zeta_toxin) 		3 GLU B 160
ILE B 156
ARG B 205
 None
 0.73A 1cd2A-2p5tB:
undetectable		 1cd2A-2p5tB:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfw CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Shewanella
frigidimarina) 		PF07883
(Cupin_2) 		3 GLU A  16
ILE A  18
ARG A 107
 None
 0.78A 1cd2A-2pfwA:
undetectable		 1cd2A-2pfwA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 GLU A 168
ILE A 167
ARG A  21
 None
 0.82A 1cd2A-2pnzA:
undetectable		 1cd2A-2pnzA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		3 GLU A 313
ILE A 312
ARG A  71
 None
 0.72A 1cd2A-2v84A:
undetectable		 1cd2A-2v84A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsu P-HYDROXYCINNAMOYL
COA HYDRATASE/LYASE

(Pseudomonas
fluorescens) 		PF00378
(ECH_1) 		3 GLU C  84
ILE C  85
ARG C  92
 None
 0.71A 1cd2A-2vsuC:
undetectable		 1cd2A-2vsuC:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		3 GLU A 117
ILE A 114
ARG A  70
 None
 0.76A 1cd2A-2whlA:
undetectable		 1cd2A-2whlA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wse PHOTOSYSTEM I
REACTION CENTER
SUBUNIT II,
CHLOROPLASTIC
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IV A,
CHLOROPLASTIC

(Spinacia
oleracea;
Arabidopsis
thaliana) 		PF02531
(PsaD)
PF02427
(PSI_PsaE) 		3 GLU E  42
ILE D 137
ARG E  62
 None
 0.76A 1cd2A-2wseE:
undetectable		 1cd2A-2wseE:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wu0 PHYTASE

(Klebsiella
pneumoniae) 		PF00328
(His_Phos_2) 		3 GLU A  39
ILE A  38
ARG A  28
 None
None
SO4  A1409 ( 4.0A)
 0.85A 1cd2A-2wu0A:
undetectable		 1cd2A-2wu0A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzq PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780

(Pyrococcus
horikoshii) 		PF00571
(CBS) 		3 GLU A 253
ILE A 252
ARG A 180
 SAM  A6075 (-3.0A)
SAM  A6075 (-3.6A)
SAM  A6075 (-3.5A)
 0.76A 1cd2A-2yzqA:
undetectable		 1cd2A-2yzqA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		3 GLU A 217
ILE A 251
ARG A  97
 None
 0.85A 1cd2A-2zxhA:
undetectable		 1cd2A-2zxhA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		3 GLU A3273
ILE A3268
ARG A3085
 None
 0.66A 1cd2A-3cmvA:
2.6		 1cd2A-3cmvA:
10.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		3 GLU A 474
ILE A 473
ARG A 465
 None
 0.66A 1cd2A-3cp2A:
undetectable		 1cd2A-3cp2A:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cq0 PUTATIVE
TRANSALDOLASE
YGR043C

(Saccharomyces
cerevisiae) 		PF00923
(TAL_FSA) 		3 GLU A 330
ILE A  82
ARG A 112
 None
None
GOL  A 352 ( 3.6A)
 0.85A 1cd2A-3cq0A:
undetectable		 1cd2A-3cq0A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d36 SPORULATION KINASE B
SPORULATION KINASE
INHIBITOR SDA

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00512
(HisKA)
PF02518
(HATPase_c)
PF08970
(Sda) 		3 GLU A 249
ILE A 245
ARG C  36
 None
 0.82A 1cd2A-3d36A:
undetectable		 1cd2A-3d36A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		3 GLU A  12
ILE A  11
ARG A 174
 None
 0.76A 1cd2A-3dddA:
undetectable		 1cd2A-3dddA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gd7 FUSION COMPLEX OF
CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR, RESIDUES
1193-1427 AND
MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK,
RESIDUES 219-371

(Escherichia
coli;
Homo sapiens) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		3 GLU A1405
ILE A1404
ARG A1495
 None
 0.69A 1cd2A-3gd7A:
1.9		 1cd2A-3gd7A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmq NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Salmonella
enterica) 		PF02540
(NAD_synthase) 		3 GLU A  20
ILE A  23
ARG A 186
 None
 0.82A 1cd2A-3hmqA:
1.6		 1cd2A-3hmqA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j47 26S PROTEASOME
REGULATORY SUBUNIT
RPN8

(Saccharomyces
cerevisiae) 		PF13012
(MitMem_reg) 		3 GLU U 272
ILE U 276
ARG U 189
 None
 0.84A 1cd2A-3j47U:
undetectable		 1cd2A-3j47U:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jap EIF3A

(Saccharomyces
cerevisiae) 		PF00411
(Ribosomal_S11) 		3 GLU o 101
ILE o 104
ARG o 195
 None
 0.74A 1cd2A-3japo:
undetectable		 1cd2A-3japo:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		3 GLU A 148
ILE A 145
ARG A 101
 None
 0.85A 1cd2A-3jugA:
undetectable		 1cd2A-3jugA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3la2 GLOBAL NITROGEN
REGULATOR

(Nostoc sp. PCC
7120) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		3 GLU A 106
ILE A 105
ARG A  88
 None
None
AKG  A 224 (-3.8A)
 0.85A 1cd2A-3la2A:
undetectable		 1cd2A-3la2A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mcq THIAMINE-MONOPHOSPHA
TE KINASE

(Methylobacillus
flagellatus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		3 GLU A 246
ILE A 249
ARG A 170
 None
 0.74A 1cd2A-3mcqA:
undetectable		 1cd2A-3mcqA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 GLU A 257
ILE A 256
ARG A 249
 None
 0.82A 1cd2A-3n0gA:
undetectable		 1cd2A-3n0gA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p3q MMOQ

(Methylococcus
capsulatus) 		PF08668
(HDOD) 		3 GLU A 191
ILE A 188
ARG A 204
 None
 0.78A 1cd2A-3p3qA:
undetectable		 1cd2A-3p3qA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk3 BETA-CRYSTALLIN B3

(Homo sapiens) 		PF00030
(Crystall) 		3 GLU A  82
ILE A 197
ARG A 105
 None
 0.78A 1cd2A-3qk3A:
undetectable		 1cd2A-3qk3A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 GLU A 668
ILE A 667
ARG A 522
 None
 0.71A 1cd2A-3rimA:
undetectable		 1cd2A-3rimA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 GLU A 564
ILE A 560
ARG A 370
 None
 0.61A 1cd2A-3s9vA:
undetectable		 1cd2A-3s9vA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 GLU A 509
ILE A 505
ARG A 315
 None
 0.65A 1cd2A-3sdqA:
undetectable		 1cd2A-3sdqA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 GLU A 413
ILE A  13
ARG A 455
 None
 0.85A 1cd2A-3vu2A:
undetectable		 1cd2A-3vu2A:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		3 GLU A 447
ILE A 444
ARG A 429
 None
 0.75A 1cd2A-3w6qA:
undetectable		 1cd2A-3w6qA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		3 GLU A  86
ILE A  97
ARG A 132
 None
 0.73A 1cd2A-3wfoA:
undetectable		 1cd2A-3wfoA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 GLU A 447
ILE A 449
ARG A  62
 None
 0.74A 1cd2A-4aipA:
undetectable		 1cd2A-4aipA:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF00374
(NiFeSe_Hases) 		3 GLU A 325
ILE A 324
ARG A 219
 None
 0.66A 1cd2A-4ci0A:
undetectable		 1cd2A-4ci0A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cyd PROBABLE
TRANSCRIPTION
REGULATOR

(Corynebacterium
glutamicum) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		3 GLU A   6
ILE A   7
ARG A 163
 None
 0.67A 1cd2A-4cydA:
undetectable		 1cd2A-4cydA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4da5 CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		3 GLU A 227
ILE A 224
ARG A 212
 None
 0.78A 1cd2A-4da5A:
undetectable		 1cd2A-4da5A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 GLU A  96
ILE A 147
ARG A 216
 None
 0.85A 1cd2A-4dpkA:
undetectable		 1cd2A-4dpkA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e0b MALATE DEHYDROGENASE

(Vibrio
vulnificus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 GLU A 155
ILE A 152
ARG A  23
 ACT  A 401 (-3.4A)
None
None
 0.74A 1cd2A-4e0bA:
undetectable		 1cd2A-4e0bA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fdg MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		no annotation 3 GLU B 160
ILE B 190
ARG B  99
 None
 0.85A 1cd2A-4fdgB:
undetectable		 1cd2A-4fdgB:
14.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		3 GLU X  32
ILE X  33
ARG X  75
 TOP  X 301 (-3.0A)
TOP  X 301 ( 4.4A)
None
 0.46A 1cd2A-4g8zX:
34.5		 1cd2A-4g8zX:
95.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		3 GLU M 434
ILE M 433
ARG M 679
 None
 0.55A 1cd2A-4gq2M:
undetectable		 1cd2A-4gq2M:
13.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		3 GLU A  32
ILE A  33
ARG A  72
 14Q  A 202 (-2.8A)
14Q  A 202 ( 4.0A)
None
 0.72A 1cd2A-4h96A:
24.0		 1cd2A-4h96A:
38.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsc STREPTOLYSIN O

(Streptococcus
pyogenes) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		3 GLU X 492
ILE X 494
ARG X 524
 None
 0.80A 1cd2A-4hscX:
undetectable		 1cd2A-4hscX:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imd N-ACETYLNEURAMINATE
LYASE

(Pasteurella
multocida) 		PF00701
(DHDPS) 		3 GLU A  73
ILE A  74
ARG A 217
 None
 0.79A 1cd2A-4imdA:
undetectable		 1cd2A-4imdA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		3 GLU A  45
ILE A  44
ARG A 237
 None
 0.83A 1cd2A-4isyA:
0.9		 1cd2A-4isyA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mgu STRUCTURAL PROTEIN
VP2

(Orthopteran
ambidensovirus
1) 		PF02336
(Denso_VP4) 		3 GLU A 324
ILE A 323
ARG A  82
 None
 0.63A 1cd2A-4mguA:
undetectable		 1cd2A-4mguA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		3 GLU A 169
ILE A 168
ARG A  43
 None
 0.54A 1cd2A-4n2xA:
undetectable		 1cd2A-4n2xA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		3 GLU A 552
ILE A 556
ARG A 605
 MG  A1002 ( 4.0A)
GTP  A1001 ( 3.7A)
None
 0.66A 1cd2A-4ncnA:
undetectable		 1cd2A-4ncnA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		3 GLU A 104
ILE A 227
ARG A 233
 FE  A 501 ( 2.4A)
None
None
 0.81A 1cd2A-4p1cA:
undetectable		 1cd2A-4p1cA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2p NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF3

(Homo sapiens) 		PF00595
(PDZ) 		3 GLU A 182
ILE A 181
ARG A 134
 None
 0.83A 1cd2A-4q2pA:
undetectable		 1cd2A-4q2pA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlr CYTOCHROME C, 1
HEME-BINDING SITE

(Geobacter
sulfurreducens) 		no annotation 3 GLU A 121
ILE A 117
ARG A  68
 None
 0.77A 1cd2A-4rlrA:
undetectable		 1cd2A-4rlrA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzz PEPTIDASE M24

(Ruegeria
lacuscaerulensis) 		PF00557
(Peptidase_M24) 		3 GLU A 261
ILE A 299
ARG A 204
 None
 0.79A 1cd2A-4rzzA:
undetectable		 1cd2A-4rzzA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tmz EIF5B

(Chaetomium
thermophilum) 		no annotation 3 GLU B 552
ILE B 556
ARG B 605
 MG  B 902 ( 3.9A)
GSP  B 901 (-4.2A)
None
 0.71A 1cd2A-4tmzB:
undetectable		 1cd2A-4tmzB:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tw5 EPS1P

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		3 GLU A  80
ILE A 134
ARG A 139
 None
 0.83A 1cd2A-4tw5A:
undetectable		 1cd2A-4tw5A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		3 GLU A 496
ILE A 514
ARG A 477
 None
 0.83A 1cd2A-4wd9A:
undetectable		 1cd2A-4wd9A:
12.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4woq N-ACETYLNEURAMINATE
LYASE

(Clostridioides
difficile) 		PF00701
(DHDPS) 		3 GLU A  84
ILE A  85
ARG A 228
 None
 0.74A 1cd2A-4woqA:
undetectable		 1cd2A-4woqA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida) 		PF03480
(DctP) 		3 GLU A  31
ILE A  32
ARG A 149
 None
BDP  A 401 ( 4.5A)
BDP  A 401 (-2.9A)
 0.67A 1cd2A-4xfeA:
undetectable		 1cd2A-4xfeA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator;
Cupriavidus
necator) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		3 GLU A 127
ILE A 123
ARG C 364
 None
 0.82A 1cd2A-5aa5A:
undetectable		 1cd2A-5aa5A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 GLU A1054
ILE A1056
ARG A 739
 None
None
U  C   5 ( 3.0A)
 0.84A 1cd2A-5aorA:
undetectable		 1cd2A-5aorA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7z LACTOYLGLUTATHIONE
LYASE

(Zea mays) 		PF00903
(Glyoxalase) 		3 GLU A 288
ILE A 262
ARG A 254
 None
 0.69A 1cd2A-5d7zA:
undetectable		 1cd2A-5d7zA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		3 GLU A 264
ILE A 266
ARG A 526
 None
 0.74A 1cd2A-5eawA:
undetectable		 1cd2A-5eawA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		3 GLU A 227
ILE A 224
ARG A 212
 None
 0.81A 1cd2A-5ftgA:
undetectable		 1cd2A-5ftgA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gte LACHRYMATORY-FACTOR
SYNTHASE

(Allium cepa) 		PF10604
(Polyketide_cyc2) 		3 GLU A 158
ILE A 159
ARG A  71
 None
 0.75A 1cd2A-5gteA:
undetectable		 1cd2A-5gteA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		3 GLU A 580
ILE A 606
ARG A 646
 None
 0.80A 1cd2A-5gz4A:
undetectable		 1cd2A-5gz4A:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jj2 A-KINASE ANCHOR
PROTEIN 7 ISOFORM
GAMMA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		3 GLU A 140
ILE A 208
ARG A  80
 None
 0.78A 1cd2A-5jj2A:
undetectable		 1cd2A-5jj2A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0u CAPSID PROTEIN VP1
CAPSID PROTEIN VP3

(Rhinovirus C;
Rhinovirus C) 		PF00073
(Rhv)
PF00073
(Rhv) 		3 GLU B  79
ILE B  81
ARG A 273
 None
 0.81A 1cd2A-5k0uB:
undetectable		 1cd2A-5k0uB:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 3 GLU A 125
ILE A 147
ARG A 296
 None
 0.77A 1cd2A-5mzsA:
undetectable		 1cd2A-5mzsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		3 GLU T2876
ILE T2877
ARG T2885
 None
 0.79A 1cd2A-5ojsT:
undetectable		 1cd2A-5ojsT:
4.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol8 TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 3 GLU A 352
ILE A 348
ARG A 293
 None
 0.82A 1cd2A-5ol8A:
undetectable		 1cd2A-5ol8A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ola TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 3 GLU A 352
ILE A 348
ARG A 293
 None
 0.82A 1cd2A-5olaA:
undetectable		 1cd2A-5olaA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 3 GLU A 375
ILE A 378
ARG A 410
 None
 0.72A 1cd2A-5vaeA:
undetectable		 1cd2A-5vaeA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 3 GLU A 722
ILE A 718
ARG A  38
 None
 0.82A 1cd2A-5xgjA:
undetectable		 1cd2A-5xgjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 GLU B 694
ILE B 609
ARG B 398
 None
 0.85A 1cd2A-5xogB:
undetectable		 1cd2A-5xogB:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT D

(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		no annotation
no annotation 		3 GLU B 856
ILE D  84
ARG B 878
 None
 0.63A 1cd2A-6btmB:
undetectable		 1cd2A-6btmB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 3 GLU C 250
ILE C 231
ARG C 236
 None
 0.84A 1cd2A-6eicC:
undetectable		 1cd2A-6eicC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 3 GLU B 669
ILE B 604
ARG B 392
 None
 0.81A 1cd2A-6exvB:
undetectable		 1cd2A-6exvB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 3 GLU A2583
ILE A2581
ARG A1928
 None
 0.65A 1cd2A-6fb3A:
undetectable		 1cd2A-6fb3A:
undetectable